N-[bis(propylamino)phosphoryl]aniline

C12H22N3OP — CID 154418549

IUPACN-[bis(propylamino)phosphoryl]aniline
SMILESCCCNP(=O)(NCCC)Nc1ccccc1
InChIInChI=1S/C12H22N3OP/c1-3-10-13-17(16,14-11-4-2)15-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H3,13,14,15,16)
InChIKeyZJICXDRQVVQOMY-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.21
Rot. Bonds8

About N-[bis(propylamino)phosphoryl]aniline

N-[bis(propylamino)phosphoryl]aniline (PubChem CID 154418549) has the molecular formula C12H22N3OP and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[bis(propylamino)phosphoryl]aniline.

Molecular Properties

Compound NameN-[bis(propylamino)phosphoryl]aniline
PubChem CID154418549
Molecular FormulaC12H22N3OP
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC NameN-[bis(propylamino)phosphoryl]aniline
SMILESCCCNP(=O)(NCCC)Nc1ccccc1
InChIInChI=1S/C12H22N3OP/c1-3-10-13-17(16,14-11-4-2)15-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H3,13,14,15,16)
InChIKeyZJICXDRQVVQOMY-UHFFFAOYSA-N
XLogP3.21
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[anilino-[2-[2-[2-(dianilinophosphorylamino)ethoxy]ethoxy]ethylamino]phosphoryl]aniline
CID 177432556
N-propylaniline
CID 12153
butane;ethane;N-methylaniline
CID 143420786
CID 67826545
CID 67826545
N-[anilino(diethylamino)phosphoryl]aniline
CID 17186015
N-[butylamino(phenyl)phosphoryl]butan-1-amine
CID 12884898
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
N'-phenyl-N-propyloxamide
CID 2291438
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
N-[[anilino(1-phenylethyl)phosphoryl]oxy-(1-phenylethyl)phosphoryl]aniline
CID 10481229
N-[dipropoxyphosphoryl(phenyl)methyl]aniline
CID 23413513
anilinomethyl(phenyl)phosphinic acid
CID 134996335

Frequently Asked Questions

What is the IUPAC name of N-[bis(propylamino)phosphoryl]aniline?
The IUPAC name of N-[bis(propylamino)phosphoryl]aniline (CID 154418549) is N-[bis(propylamino)phosphoryl]aniline.
What is the SMILES notation for N-[bis(propylamino)phosphoryl]aniline?
The canonical SMILES for N-[bis(propylamino)phosphoryl]aniline is CCCNP(=O)(NCCC)Nc1ccccc1.
What is the InChIKey of N-[bis(propylamino)phosphoryl]aniline?
The InChIKey is ZJICXDRQVVQOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N3OP/c1-3-10-13-17(16,14-11-4-2)15-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H3,13,14,15,16).
What are the key properties of N-[bis(propylamino)phosphoryl]aniline?
N-[bis(propylamino)phosphoryl]aniline has a molecular weight of 255.30 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(propylamino)phosphoryl]aniline is sourced from PubChem (CID 154418549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).